4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline

C12H12ClNO2 — CID 107268066

IUPAC4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C12H12ClNO2/c1-15-12-6-10(2-3-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyXQKIWSHFTMWPQH-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline

4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline (PubChem CID 107268066) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
PubChem CID107268066
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C12H12ClNO2/c1-15-12-6-10(2-3-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyXQKIWSHFTMWPQH-UHFFFAOYSA-N
XLogP3.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
CID 115744212
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63204464
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline?
The IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline (CID 107268066) is 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline is COc1cc(NCc2ccoc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline?
The InChIKey is XQKIWSHFTMWPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-15-12-6-10(2-3-11(12)13)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline?
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline has a molecular weight of 237.69 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 107268066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).